2-amino-6-[[6-cyano-5-(2-methoxypropan-2-yl)-2-pyridinyl]amino]-4-(3-fluoro-2-methoxyanilino)-N-methylpyridine-3-carboxamide

C24H26FN7O3 — CID 166647486

IUPAC2-amino-6-[[6-cyano-5-(2-methoxypropan-2-yl)-2-pyridinyl]amino]-4-(3-fluoro-2-methoxyanilino)-N-methylpyridine-3-carboxamide
SMILESCNC(=O)c1c(Nc2cccc(F)c2OC)cc(Nc2ccc(C(C)(C)OC)c(C#N)n2)nc1N
InChIInChI=1S/C24H26FN7O3/c1-24(2,35-5)13-9-10-18(30-17(13)12-26)31-19-11-16(20(22(27)32-19)23(33)28-3)29-15-8-6-7-14(25)21(15)34-4/h6-11H,1-5H3,(H,28,33)(H4,27,29,30,31,32)
InChIKeyQDQSHAURXYCQKA-UHFFFAOYSA-N
MW479.52 g/mol
LogP3.81
Rot. Bonds8

About 2-amino-6-[[6-cyano-5-(2-methoxypropan-2-yl)-2-pyridinyl]amino]-4-(3-fluoro-2-methoxyanilino)-N-methylpyridine-3-carboxamide

2-amino-6-[[6-cyano-5-(2-methoxypropan-2-yl)-2-pyridinyl]amino]-4-(3-fluoro-2-methoxyanilino)-N-methylpyridine-3-carboxamide (PubChem CID 166647486) has the molecular formula C24H26FN7O3 and a molecular weight of 479.52 g/mol. Its IUPAC name is 2-amino-6-[[6-cyano-5-(2-methoxypropan-2-yl)-2-pyridinyl]amino]-4-(3-fluoro-2-methoxyanilino)-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-6-[[6-cyano-5-(2-methoxypropan-2-yl)-2-pyridinyl]amino]-4-(3-fluoro-2-methoxyanilino)-N-methylpyridine-3-carboxamide
PubChem CID166647486
Molecular FormulaC24H26FN7O3
Molecular Weight479.52 g/mol
Exact Mass479.21
IUPAC Name2-amino-6-[[6-cyano-5-(2-methoxypropan-2-yl)-2-pyridinyl]amino]-4-(3-fluoro-2-methoxyanilino)-N-methylpyridine-3-carboxamide
SMILESCNC(=O)c1c(Nc2cccc(F)c2OC)cc(Nc2ccc(C(C)(C)OC)c(C#N)n2)nc1N
InChIInChI=1S/C24H26FN7O3/c1-24(2,35-5)13-9-10-18(30-17(13)12-26)31-19-11-16(20(22(27)32-19)23(33)28-3)29-15-8-6-7-14(25)21(15)34-4/h6-11H,1-5H3,(H,28,33)(H4,27,29,30,31,32)
InChIKeyQDQSHAURXYCQKA-UHFFFAOYSA-N
XLogP3.81
TPSA147.21 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.52
LogP ≤ 53.81
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-[[6-cyano-5-(2-methoxypropan-2-yl)-2-pyridinyl]amino]-4-(3-fluoro-2-methoxyanilino)-N-methylpyridine-3-carboxamide?
The IUPAC name of 2-amino-6-[[6-cyano-5-(2-methoxypropan-2-yl)-2-pyridinyl]amino]-4-(3-fluoro-2-methoxyanilino)-N-methylpyridine-3-carboxamide (CID 166647486) is 2-amino-6-[[6-cyano-5-(2-methoxypropan-2-yl)-2-pyridinyl]amino]-4-(3-fluoro-2-methoxyanilino)-N-methylpyridine-3-carboxamide.
What is the SMILES notation for 2-amino-6-[[6-cyano-5-(2-methoxypropan-2-yl)-2-pyridinyl]amino]-4-(3-fluoro-2-methoxyanilino)-N-methylpyridine-3-carboxamide?
The canonical SMILES for 2-amino-6-[[6-cyano-5-(2-methoxypropan-2-yl)-2-pyridinyl]amino]-4-(3-fluoro-2-methoxyanilino)-N-methylpyridine-3-carboxamide is CNC(=O)c1c(Nc2cccc(F)c2OC)cc(Nc2ccc(C(C)(C)OC)c(C#N)n2)nc1N.
What is the InChIKey of 2-amino-6-[[6-cyano-5-(2-methoxypropan-2-yl)-2-pyridinyl]amino]-4-(3-fluoro-2-methoxyanilino)-N-methylpyridine-3-carboxamide?
The InChIKey is QDQSHAURXYCQKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN7O3/c1-24(2,35-5)13-9-10-18(30-17(13)12-26)31-19-11-16(20(22(27)32-19)23(33)28-3)29-15-8-6-7-14(25)21(15)34-4/h6-11H,1-5H3,(H,28,33)(H4,27,29,30,31,32).
What are the key properties of 2-amino-6-[[6-cyano-5-(2-methoxypropan-2-yl)-2-pyridinyl]amino]-4-(3-fluoro-2-methoxyanilino)-N-methylpyridine-3-carboxamide?
2-amino-6-[[6-cyano-5-(2-methoxypropan-2-yl)-2-pyridinyl]amino]-4-(3-fluoro-2-methoxyanilino)-N-methylpyridine-3-carboxamide has a molecular weight of 479.52 g/mol, XLogP of 3.81, 8 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-[[6-cyano-5-(2-methoxypropan-2-yl)-2-pyridinyl]amino]-4-(3-fluoro-2-methoxyanilino)-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 166647486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).